3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide

C16H23N3O2 — CID 63044136

IUPAC3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C16H23N3O2/c1-2-15(20)18-13-6-8-14(9-7-13)19-16(21)11-4-3-5-12(17)10-11/h6-9,11-12H,2-5,10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyAEHNKYZZWQIFLX-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.49
Rot. Bonds4

About 3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide

3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 63044136) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID63044136
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C16H23N3O2/c1-2-15(20)18-13-6-8-14(9-7-13)19-16(21)11-4-3-5-12(17)10-11/h6-9,11-12H,2-5,10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyAEHNKYZZWQIFLX-UHFFFAOYSA-N
XLogP2.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-(ethylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119711119
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 63043789
3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 63045073
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501
3-amino-N-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 63044303
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402
3-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119800489
3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 119757601
3-amino-N-[4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723414

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide (CID 63044136) is 3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide is CCC(=O)Nc1ccc(NC(=O)C2CCCC(N)C2)cc1.
What is the InChIKey of 3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is AEHNKYZZWQIFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-15(20)18-13-6-8-14(9-7-13)19-16(21)11-4-3-5-12(17)10-11/h6-9,11-12H,2-5,10,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(propanoylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63044136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).